2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C13H12Cl2N4 — CID 114742246

IUPAC2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(-c2ncc(Cl)cc2Cl)nc2c1CCNC2
InChIInChI=1S/C13H12Cl2N4/c1-7-9-2-3-16-6-11(9)19-13(18-7)12-10(15)4-8(14)5-17-12/h4-5,16H,2-3,6H2,1H3
InChIKeyGMQKTLAFUUMDIX-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.80
Rot. Bonds1

About 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742246) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742246
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(-c2ncc(Cl)cc2Cl)nc2c1CCNC2
InChIInChI=1S/C13H12Cl2N4/c1-7-9-2-3-16-6-11(9)19-13(18-7)12-10(15)4-8(14)5-17-12/h4-5,16H,2-3,6H2,1H3
InChIKeyGMQKTLAFUUMDIX-UHFFFAOYSA-N
XLogP2.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
CID 79786506
4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 112703747
2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 79780012
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742183
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742289
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid
CID 79780842
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136992335

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742246) is 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1nc(-c2ncc(Cl)cc2Cl)nc2c1CCNC2.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is GMQKTLAFUUMDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-7-9-2-3-16-6-11(9)19-13(18-7)12-10(15)4-8(14)5-17-12/h4-5,16H,2-3,6H2,1H3.
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 295.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).